octyl 8-methyl-2-sulfanyl-nonanoate

Systemtic Name: octyl 8-methyl-2-sulfanyl-nonanoate Openeye Name: octyl 8-methyl-2-sulfanyl-nonanoate CAS Name: 2-mercapto-8-methylnonanoic acid octyl ester IUPAC Name: octyl 8-methyl-2-sulfanylnonanoate Traditional Name: 2-mercapto-8-methyl-pelargonic acid octyl ester Formula: C18H36O2S MolecularWeight: 316.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CCCCCC(C)C)S

Isomeric SMILES

CCCCCCCCOC(=O)C(CCCCCC(C)C)S

InChI

InChI=1S/C18H36O2S/c1-4-5-6-7-8-12-15-20-18(19)17(21)14-11-9-10-13-16(2)3/h16-17,21H,4-15H2,1-3H3